| Properties | Image |
|---|
| MNX_ID | MNXM1189777 |
 |
| reference | envipathM:...52832d71942d |
| formula | C54H96O12 |
| global charge | 0 |
| mol weight | 937.35 |
| InChIKey | OIXLJBNOKUMOLJ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O12/c1-4-7-10-12-13-14-15-16-17-18-19-22-29-35-46(57)54(61)64-43(42-63-52(60)39-32-26-21-24-30-37-49-53(66-49)45(56)34-27-11-8-5-2)41-62-51(59)38-31-25-20-23-28-33-44(55)47(58)40-50-48(65-50)36-9-6-3/h12-13,27,34,43-50,53,55-58H,4-11,14-26,28-33,35-42H2,1-3H3 |
| SMILES | CCCCC=CCCCCCCCCCC(O)C(=O)OC(COC(=O)CCCCCCCC(O)C(O)CC1OC1CCCC)COC(=O)CCCCCCCC1OC1C(O)C=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O12/c1-4-7-10-12-13-14-15-16-17-18-19-22-29-35-46(57)54(61)64-43(42-63-52(60)39-32-26-21-24-30-37-49-53(66-49)45(56)34-27-11-8-5-2)41-62-51(59)38-31-25-20-23-28-33-44(55)47(58)40-50-48(65-50)36-9-6-3/h12-13,27,34,43-50,53,55-58H,4-11,14-26,28-33,35-42H2,1-3H3/b13-12?,34-27?/t43?,44?,45?,46?,47?,48?,49?,50?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:22][CH2:29][CH2:35][CH:46]([C:54](=[O:61])[O:64][CH:43]([CH2:41][O:62][C:51]([CH2:38][CH2:31][CH2:25][CH2:20][CH2:23][CH2:28][CH2:33][CH:44]([CH:47]([CH2:40][CH:50]1[CH:48]([CH2:36][CH2:9][CH2:6][CH3:3])[O:65]1)[OH:58])[OH:55])=[O:59])[CH2:42][O:63][C:52]([CH2:39][CH2:32][CH2:26][CH2:21][CH2:24][CH2:30][CH2:37][CH:49]1[CH:53]([CH:45]([CH:34]=[CH:27][CH2:11][CH2:8][CH2:5][CH3:2])[OH:56])[O:66]1)=[O:60])[OH:57] |
|